@MOLECULE ***** 46 49 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.7190 -1.7650 0.3510 C.2 1 UNL1 -0.0397 2 C -2.8690 -2.3590 -0.0160 C.2 1 UNL1 -0.0030 3 C 2.4960 4.6870 -1.1610 C.3 1 UNL1 0.0003 4 C 2.2230 2.4730 -0.1800 C.2 1 UNL1 0.2786 5 C 2.1060 1.5600 1.0130 C.3 1 UNL1 0.2272 6 C 0.7600 -0.3220 0.3410 C.ar 1 UNL1 0.2489 7 C -0.4540 0.3740 0.5140 C.2 1 UNL1 0.0250 8 C -1.6580 -0.2970 0.4000 C.2 1 UNL1 -0.0081 9 C -5.0870 -2.3110 -1.0370 C.3 1 UNL1 0.0053 10 C -4.0890 -0.2910 -0.0590 C.ar 1 UNL1 0.0411 11 C -5.3110 0.3650 -0.1380 C.ar 1 UNL1 -0.0398 12 C -5.3880 1.7110 0.1530 C.ar 1 UNL1 -0.0600 13 C -4.2560 2.4210 0.5240 C.ar 1 UNL1 -0.0611 14 C -3.0340 1.7870 0.6090 C.ar 1 UNL1 -0.0522 15 C -2.9440 0.4290 0.3200 C.ar 1 UNL1 0.0037 16 C 2.6510 -1.9000 -0.0860 C.ar 1 UNL1 0.0893 17 C 3.6340 -2.8490 -0.3510 C.ar 1 UNL1 -0.0414 18 C 4.9650 -2.5320 -0.1910 C.ar 1 UNL1 -0.0603 19 C 5.3300 -1.2640 0.2360 C.ar 1 UNL1 -0.0555 20 C 4.3750 -0.3150 0.5020 C.ar 1 UNL1 0.0109 21 C 3.0040 -0.6160 0.3450 C.ar 1 UNL1 0.2230 22 N 2.3830 3.7990 -0.0010 N.am 1 UNL1 -0.3132 23 N 1.9410 0.1780 0.5570 N.ar 1 UNL1 -0.1755 24 N -3.9810 -1.6380 -0.3510 N.pl3 1 UNL1 -0.3090 25 O 2.1720 2.0150 -1.3010 O.2 1 UNL1 -0.2689 26 S 0.8940 -1.9930 -0.1890 S.2 1 UNL1 -0.0144 27 H -0.8540 -2.3590 0.6110 H 1 UNL1 0.0636 28 H -2.9150 -3.4380 -0.0480 H 1 UNL1 0.0783 29 H 3.3600 4.3960 -1.7580 H 1 UNL1 0.0426 30 H 1.5930 4.6100 -1.7660 H 1 UNL1 0.0426 31 H 2.6190 5.7150 -0.8210 H 1 UNL1 0.0426 32 H 3.0090 1.6370 1.6190 H 1 UNL1 0.1133 33 H 1.2420 1.8510 1.6110 H 1 UNL1 0.1133 34 H -0.4440 1.4310 0.7360 H 1 UNL1 0.0695 35 H -4.8370 -3.3610 -1.1870 H 1 UNL1 0.0432 36 H -5.9900 -2.2350 -0.4300 H 1 UNL1 0.0432 37 H -5.2580 -1.8360 -2.0030 H 1 UNL1 0.0432 38 H -6.1990 -0.1780 -0.4260 H 1 UNL1 0.0636 39 H -6.3400 2.2180 0.0900 H 1 UNL1 0.0618 40 H -4.3320 3.4750 0.7470 H 1 UNL1 0.0618 41 H -2.1530 2.3410 0.8990 H 1 UNL1 0.0624 42 H 3.3530 -3.8380 -0.6830 H 1 UNL1 0.0631 43 H 5.7250 -3.2710 -0.3980 H 1 UNL1 0.0618 44 H 6.3750 -1.0210 0.3610 H 1 UNL1 0.0620 45 H 4.6740 0.6680 0.8340 H 1 UNL1 0.0684 46 H 2.4230 4.1660 0.8960 H 1 UNL1 0.1486 @UNITY_ATOM_ATTR 23 1 charge 1 @BOND 1 18 17 ar 2 18 19 ar 3 17 16 ar 4 19 20 ar 5 25 4 2 6 16 21 ar 7 16 26 ar 8 20 21 ar 9 21 23 ar 10 26 6 ar 11 3 22 1 12 4 22 am 13 4 5 1 14 23 6 ar 15 23 5 1 16 6 7 1 17 1 2 2 18 1 8 1 19 2 24 1 20 7 8 2 21 8 15 1 22 24 9 1 23 24 10 1 24 15 10 ar 25 15 14 ar 26 10 11 ar 27 14 13 ar 28 11 12 ar 29 13 12 ar 30 1 27 1 31 2 28 1 32 3 29 1 33 3 30 1 34 3 31 1 35 5 32 1 36 5 33 1 37 7 34 1 38 9 35 1 39 9 36 1 40 9 37 1 41 11 38 1 42 12 39 1 43 13 40 1 44 14 41 1 45 17 42 1 46 18 43 1 47 19 44 1 48 20 45 1 49 22 46 1